tris[(5-methanidylphenanthridin-5-ium-4-yl)oxy]alumane

Systemtic Name: tris[(5-methanidylphenanthridin-5-ium-4-yl)oxy]alumane Openeye Name: tris[(5-methanidylphenanthridin-5-ium-4-yl)oxy]alumane CAS Name: tris[(5-methanidyl-4-phenanthridin-5-iumyl)oxy]alumane IUPAC Name: tris[(5-methanidylphenanthridin-5-ium-4-yl)oxy]alumane Traditional Name: tris[(5-methanidylphenanthridin-5-ium-4-yl)oxy]alumane Formula: C42H30AlN3O3 MolecularWeight: 651.687438

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Descriptors Computed from Structure

Canonical SMILES:

[CH2-][N+]1=CC2=CC=CC=C2C3=C1C(=CC=C3)O[Al](OC4=CC=CC5=C4[N+](=CC6=CC=CC=C56)[CH2-])OC7=CC=CC8=C7[N+](=CC9=CC=CC=C89)[CH2-]

Isomeric SMILES

[CH2-][N+]1=CC2=CC=CC=C2C3=C1C(=CC=C3)O[Al](OC4=CC=CC5=C4[N+](=CC6=CC=CC=C56)[CH2-])OC7=CC=CC8=C7[N+](=CC9=CC=CC=C89)[CH2-]

InChI

InChI=1S/3C14H11NO.Al/c3*1-15-9-10-5-2-3-6-11(10)12-7-4-8-13(16)14(12)15;/h3*2-9,16H,1H2;/q;;;+3/p-3